4-methylsulfanyl-2-[(3,4,5-tripropoxyphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3,4,5-tripropoxyphenyl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3,4,5-tripropoxybenzoyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(3,4,5-tripropoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3,4,5-tripropoxybenzoyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(3,4,5-tripropoxybenzoyl)amino]butyric acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C21H33NO6S/c1-5-9-26-17-13-15(20(23)22-16(21(24)25)8-12-29-4)14-18(27-10-6-2)19(17)28-11-7-3/h13-14,16H,5-12H2,1-4H3,(H,22,23)(H,24,25)